EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:208489 - Basiliskamide B

ChEBI IDCHEBI:208489
ChEBI NameBasiliskamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31NO4
Net Charge0
Average Mass385.504
Monoisotopic Mass385.22531
SMILESCC[C@@H](C)[C@H](O)[C@H](C)[C@@H](C/C=C/C=C\C(N)=O)OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C23H31NO4/c1-4-17(2)23(27)18(3)20(13-9-6-10-14-21(24)25)28-22(26)16-15-19-11-7-5-8-12-19/h5-12,14-18,20,23,27H,4,13H2,1-3H3,(H2,24,25)/b9-6+,14-10-,16-15+/t17-,18-,20-,23+/m1/s1
InChIKeyHCZNVGHFFHRIFM-HXKCHMFGSA-N
Species of MetaboliteComponentSourceComments
Brevibacillus laterosporus (ncbitaxon:1465) - PubMed (12398541)
ChEBI Ontology
Outgoing Relation(s)
Basiliskamide B (CHEBI:208489) is a cinnamate ester (CHEBI:36087)
IUPAC Name 
[(3R,4S,5S,6R,8E,10Z)-12-amino-4-hydroxy-3,5-dimethyl-12-oxododeca-8,10-dien-6-yl] (E)-3-phenylprop-2-enoate
Manual XrefsDatabases
8083804ChemSpider